First-Principles Calculations with Six Structures of Alkaline Earth Metal Cyanide A(CN)(2) (A = Be, Mg, Ca, Sr, and Ba): Structural, Electrical, and Phonon Properties

[Image: see text] This work examines six structures (P4̅3m, P4(2)nm, R3m, P2(1)/c, R3̅m, and C2/m) of alkaline earth metal cyanide A(CN)(2) (A = Be, Mg, Ca, Sr, and Ba) using first-principles calculations. The symmetries of P4̅3m, P4(2)nm, and R3m reflect a variation of Pn3̅m, previously reported as...

Descripción completa

Detalles Bibliográficos
Autores principales: Leong, Pak Kin, Sekine, Toshimori, Tam, Kuan Vai, Tam, Sok I., Tang, Chi Pui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878677/
https://www.ncbi.nlm.nih.gov/pubmed/36713722
http://dx.doi.org/10.1021/acsomega.2c05667

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878677/
https://www.ncbi.nlm.nih.gov/pubmed/36713722
http://dx.doi.org/10.1021/acsomega.2c05667

Ejemplares similares